ChemSpider 2D Image | (1S,1'R,2S,6'R,7'S,9'R)-7'-Hydroxy-3,3-dimethyl-10'-methylene-2',11'-dioxo-3'-oxaspiro[cyclohexane-1,5'-tricyclo[7.2.1.0~1,6~]dodecane]-2-carbaldehyde | C20H26O5

(1S,1'R,2S,6'R,7'S,9'R)-7'-Hydroxy-3,3-dimethyl-10'-methylene-2',11'-dioxo-3'-oxaspiro[cyclohexane-1,5'-tricyclo[7.2.1.01,6]dodecane]-2-carbaldehyde

  • Molecular FormulaC20H26O5
  • Average mass346.417 Da
  • Monoisotopic mass346.178009 Da
  • ChemSpider ID82965578

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(1S,1'R,2S,6'R,7'S,9'R)-7'-Hydroxy-3,3-dimethyl-10'-methylene-2',11'-dioxo-3'-oxaspiro[cyclohexane-1,5'-tricyclo[7.2.1.01,6]dodecane]-2-carbaldehyde [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 567.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.9±6.0 kJ/mol
Flash Point: 203.1±23.6 °C
Index of Refraction: 1.565
Molar Refractivity: 89.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.38
ACD/LogD (pH 5.5): 2.33
ACD/BCF (pH 5.5): 34.64
ACD/KOC (pH 5.5): 440.16
ACD/LogD (pH 7.4): 2.33
ACD/BCF (pH 7.4): 34.64
ACD/KOC (pH 7.4): 440.16
Polar Surface Area: 81 Å2
Polarizability: 35.6±0.5 10-24cm3
Surface Tension: 50.9±5.0 dyne/cm
Molar Volume: 275.6±5.0 cm3

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